3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione

C12H12N2O2 — CID 45093444

IUPAC3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ncccc2C)C1=O
InChIInChI=1S/C12H12N2O2/c1-7-5-4-6-13-10(7)14-11(15)8(2)9(3)12(14)16/h4-6H,1-3H3
InChIKeySYXIETPBAVNBQC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.60
Rot. Bonds1

About 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione

3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione (PubChem CID 45093444) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
PubChem CID45093444
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ncccc2C)C1=O
InChIInChI=1S/C12H12N2O2/c1-7-5-4-6-13-10(7)14-11(15)8(2)9(3)12(14)16/h4-6H,1-3H3
InChIKeySYXIETPBAVNBQC-UHFFFAOYSA-N
XLogP1.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
2-(3-methyl-2-pyridinyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2875690
2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
CID 103430551
8,9-dibromo-4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 3127118
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
1-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 63342828
3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
CID 39096479
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1-(3-methyl-2-pyridinyl)piperazin-2-one
CID 50987689
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 68896742
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione (CID 45093444) is 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione is CC1=C(C)C(=O)N(c2ncccc2C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
The InChIKey is SYXIETPBAVNBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-5-4-6-13-10(7)14-11(15)8(2)9(3)12(14)16/h4-6H,1-3H3.
What are the key properties of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione has a molecular weight of 216.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione is sourced from PubChem (CID 45093444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).